Molecule

ID:71391

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BrN₃
Molecular Mass
256.14226
Exact Mass
255.03710946
Charge
0
InChI
InChI=1S/C10H14BrN3/c11-7-5-9(10(12)13-6-7)14-8-3-1-2-4-8/h5-6,8,14H,1-4H2,(H2,12,13)
InChIKey
RYIQTTKYLSTGCB-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(cc1NC1CCCC1)Br
Isomeric Smiles
c1(c(ncc(c1)Br)N)NC1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9107256
LogD (pH = 7.4)
2.1139517
Log P
2.1173375
Molar Refractivity
63.1448
Polarizability
22.988771
Polar Surface Area
50.94
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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